public class AtomIteratorAllLeafType extends java.lang.Object implements AtomsetIteratorBoxDependent, AtomsetIteratorDirectable, AtomsetIteratorTargetable, java.io.Serializable
Constructor and Description |
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AtomIteratorAllLeafType(IAtomType[] atomType) |
Modifier and Type | Method and Description |
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int |
nBody()
Returns the number of atoms given in each iterate, i.e., the
size of the atom array returned with each call to next().
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IAtomList |
next()
Returns the next AtomSet iterate, or null if hasNext() is false.
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void |
reset()
Resets the iterator to loop through its iterates again.
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void |
setBox(IBox newBox)
Sets the box containing the molecules for iteration.
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void |
setDirection(IteratorDirective.Direction newDirection)
Has no effect, but is included as part of the AtomsetIteratorPDT interface.
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void |
setTarget(IAtom newTargetAtom)
Sets the target of iteration...
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int |
size()
Returns the number of iterates given by this iterator, if iterated after
a call to reset().
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void |
unset()
Puts iterator in a state in which hasNext() returns false.
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public AtomIteratorAllLeafType(IAtomType[] atomType)
species
- species for which molecules are returned as iterates. Only
species[0] is relevant, and must not be null.public void setBox(IBox newBox)
setBox
in interface AtomsetIteratorBoxDependent
public void setTarget(IAtom newTargetAtom)
setTarget
in interface AtomsetIteratorTargetable
public void setDirection(IteratorDirective.Direction newDirection)
setDirection
in interface AtomsetIteratorDirectable
public void reset()
AtomsetIterator
reset
in interface AtomsetIterator
public void unset()
AtomsetIterator
unset
in interface AtomsetIterator
public IAtomList next()
AtomLeafsetIterator
next
in interface AtomLeafsetIterator
public int nBody()
AtomsetIterator
nBody
in interface AtomsetIterator
public int size()
size
in interface AtomsetIterator